SCHEMBL7842893

SCHEMBL7842893

NS(=O)(=O)c1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.52
PTGS2 P35354 5/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KDM1A O60341 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7846003 1.00 PTGS1 (0.52) PTGS1PTGS2KMT2AMEN1CCNA2
SCHEMBL7840984 0.91 CCNA2 (0.51) PTGS1PTGS2KMT2AMEN1CCNA2
SCHEMBL7833908 0.91 PTGS2 (0.57) PTGS1PTGS2KMT2AMEN1SMN1; SMN2
SCHEMBL7846538 0.91 PTGS2 (0.57) PTGS1PTGS2KMT2AMEN1SMN1; SMN2
SCHEMBL7845012 0.91 CCNA2 (0.51) PTGS1PTGS2KMT2AMEN1CCNA2
SCHEMBL7842692 0.91 KMT2A (0.60) PTGS1PTGS2KMT2AMEN1SMN1; SMN2
SCHEMBL7842452 0.91 KMT2A (0.60) PTGS1PTGS2KMT2AMEN1SMN1; SMN2
SCHEMBL7843582 0.89 PTGS2 (0.49) PTGS1PTGS2KMT2AMEN1SMN1; SMN2
SCHEMBL7845250 0.89 PTGS2 (0.49) PTGS1PTGS2KMT2AMEN1SMN1; SMN2
SCHEMBL7832857 0.88 SMN1; SMN2 (0.58) PTGS1PTGS2KMT2AMEN1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed